1-(cyclopropylsulfamoylamino)cyclooctane-1-carbothioamide

C12H23N3O2S2 — CID 114808198

IUPAC1-(cyclopropylsulfamoylamino)cyclooctane-1-carbothioamide
SMILESNC(=S)C1(NS(=O)(=O)NC2CC2)CCCCCCC1
InChIInChI=1S/C12H23N3O2S2/c13-11(18)12(8-4-2-1-3-5-9-12)15-19(16,17)14-10-6-7-10/h10,14-15H,1-9H2,(H2,13,18)
InChIKeyYHDFRJJRIDJZHQ-UHFFFAOYSA-N
MW305.47 g/mol
LogP1.34
Rot. Bonds5

About 1-(cyclopropylsulfamoylamino)cyclooctane-1-carbothioamide

1-(cyclopropylsulfamoylamino)cyclooctane-1-carbothioamide (PubChem CID 114808198) has the molecular formula C12H23N3O2S2 and a molecular weight of 305.47 g/mol. Its IUPAC name is 1-(cyclopropylsulfamoylamino)cyclooctane-1-carbothioamide.

Molecular Properties

Compound Name1-(cyclopropylsulfamoylamino)cyclooctane-1-carbothioamide
PubChem CID114808198
Molecular FormulaC12H23N3O2S2
Molecular Weight305.47 g/mol
Exact Mass305.12
IUPAC Name1-(cyclopropylsulfamoylamino)cyclooctane-1-carbothioamide
SMILESNC(=S)C1(NS(=O)(=O)NC2CC2)CCCCCCC1
InChIInChI=1S/C12H23N3O2S2/c13-11(18)12(8-4-2-1-3-5-9-12)15-19(16,17)14-10-6-7-10/h10,14-15H,1-9H2,(H2,13,18)
InChIKeyYHDFRJJRIDJZHQ-UHFFFAOYSA-N
XLogP1.34
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-(cyclopropylsulfamoylamino)cyclooctane-1-carbothioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(cyclopropylsulfamoylamino)cyclooctane-1-carboximidamide
CID 114813298
1-(methylsulfamoylamino)cyclohexane-1-carbothioamide
CID 114808143
1-(cyclohexylsulfonylamino)cyclooctane-1-carbothioamide
CID 61123572
1-(ethylsulfamoylamino)cycloheptane-1-carbothioamide
CID 114808160
1-(sulfamoylamino)cyclopentane-1-carbothioamide
CID 114959145
propan-2-yl N-[(1-carbamothioylcyclohexyl)sulfamoyl]carbamate
CID 114463540
1-(aminomethyl)-N-(cyclopropylsulfamoyl)cyclopentan-1-amine
CID 114803346
1-(methylsulfonylmethylsulfonylamino)cyclooctane-1-carbothioamide
CID 82842037
1-(methylsulfonylmethylsulfonylamino)cyclopentane-1-carbothioamide
CID 82842928
methyl 2-[(1-carbamothioylcycloheptyl)sulfamoyl]propanoate
CID 61458579
1-(3-methylbutylsulfonylamino)cyclohexane-1-carbothioamide
CID 63856598
1-(1-carbamothioylcyclooctyl)-3-cyclohexylurea
CID 61122181

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylsulfamoylamino)cyclooctane-1-carbothioamide?
The IUPAC name of 1-(cyclopropylsulfamoylamino)cyclooctane-1-carbothioamide (CID 114808198) is 1-(cyclopropylsulfamoylamino)cyclooctane-1-carbothioamide.
What is the SMILES notation for 1-(cyclopropylsulfamoylamino)cyclooctane-1-carbothioamide?
The canonical SMILES for 1-(cyclopropylsulfamoylamino)cyclooctane-1-carbothioamide is NC(=S)C1(NS(=O)(=O)NC2CC2)CCCCCCC1.
What is the InChIKey of 1-(cyclopropylsulfamoylamino)cyclooctane-1-carbothioamide?
The InChIKey is YHDFRJJRIDJZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S2/c13-11(18)12(8-4-2-1-3-5-9-12)15-19(16,17)14-10-6-7-10/h10,14-15H,1-9H2,(H2,13,18).
What are the key properties of 1-(cyclopropylsulfamoylamino)cyclooctane-1-carbothioamide?
1-(cyclopropylsulfamoylamino)cyclooctane-1-carbothioamide has a molecular weight of 305.47 g/mol, XLogP of 1.34, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylsulfamoylamino)cyclooctane-1-carbothioamide is sourced from PubChem (CID 114808198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).